KAVANAGH, R. et al., 2012. Origin of low CO2 selectivity on platinum in the direct ethanol fuel cell. Angewandte Chemie : International Edition, 51 (7), pp.1572-1575.
Calculated answer: First-principles calculations have been applied to calculate the energy barrier for the key step in CO formation on a Pt surface (see picture; Pt blue, Pt atoms on step edge yellow) to understand the low CO 2 selectivity in the direct ethanol fuel cell. The presence of surface oxidant species such as O (brown bar) and OH (red bar) led to an increase of the energy barrier and thus an inhibition of the key step.